(3-cyclohexyl-1,1-difluoropropyl)sulfonylbenzene

C15H20F2O2S — CID 163297793

IUPAC(3-cyclohexyl-1,1-difluoropropyl)sulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C(F)(F)CCC1CCCCC1
InChIInChI=1S/C15H20F2O2S/c16-15(17,12-11-13-7-3-1-4-8-13)20(18,19)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2
InChIKeyVJCBKPGNGLJGBQ-UHFFFAOYSA-N
MW302.39 g/mol
LogP4.41
Rot. Bonds5

About (3-cyclohexyl-1,1-difluoropropyl)sulfonylbenzene

(3-cyclohexyl-1,1-difluoropropyl)sulfonylbenzene (PubChem CID 163297793) has the molecular formula C15H20F2O2S and a molecular weight of 302.39 g/mol. Its IUPAC name is (3-cyclohexyl-1,1-difluoropropyl)sulfonylbenzene.

Molecular Properties

Compound Name(3-cyclohexyl-1,1-difluoropropyl)sulfonylbenzene
PubChem CID163297793
Molecular FormulaC15H20F2O2S
Molecular Weight302.39 g/mol
Exact Mass302.12
IUPAC Name(3-cyclohexyl-1,1-difluoropropyl)sulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C(F)(F)CCC1CCCCC1
InChIInChI=1S/C15H20F2O2S/c16-15(17,12-11-13-7-3-1-4-8-13)20(18,19)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2
InChIKeyVJCBKPGNGLJGBQ-UHFFFAOYSA-N
XLogP4.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1,4-Difluoro-2-(1-(phenylsulfonyl)cyclohexyl)benzene
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CID 2832910
1-Methyl-4-((trifluoromethyl)sulfonyl)benzene
CID 882246
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CID 2743789
1-Fluoro-4-(1-(4-(perfluoroethyl)phenyl)cyclopentylsulfonyl)benzene
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Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-1,1-difluoropropyl)sulfonylbenzene?
The IUPAC name of (3-cyclohexyl-1,1-difluoropropyl)sulfonylbenzene (CID 163297793) is (3-cyclohexyl-1,1-difluoropropyl)sulfonylbenzene.
What is the SMILES notation for (3-cyclohexyl-1,1-difluoropropyl)sulfonylbenzene?
The canonical SMILES for (3-cyclohexyl-1,1-difluoropropyl)sulfonylbenzene is O=S(=O)(c1ccccc1)C(F)(F)CCC1CCCCC1.
What is the InChIKey of (3-cyclohexyl-1,1-difluoropropyl)sulfonylbenzene?
The InChIKey is VJCBKPGNGLJGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2S/c16-15(17,12-11-13-7-3-1-4-8-13)20(18,19)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2.
What are the key properties of (3-cyclohexyl-1,1-difluoropropyl)sulfonylbenzene?
(3-cyclohexyl-1,1-difluoropropyl)sulfonylbenzene has a molecular weight of 302.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-1,1-difluoropropyl)sulfonylbenzene is sourced from PubChem (CID 163297793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).